N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine

C17H20ClN — CID 115484059

IUPACN-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C17H20ClN/c1-4-19-17(14-8-6-5-7-9-14)15-10-12(2)13(3)11-16(15)18/h5-11,17,19H,4H2,1-3H3
InChIKeySUMWSTCGVAQBPY-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.66
Rot. Bonds4

About N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine

N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine (PubChem CID 115484059) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine
PubChem CID115484059
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC NameN-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1cc(C)c(C)cc1Cl
InChIInChI=1S/C17H20ClN/c1-4-19-17(14-8-6-5-7-9-14)15-10-12(2)13(3)11-16(15)18/h5-11,17,19H,4H2,1-3H3
InChIKeySUMWSTCGVAQBPY-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-4,5-dimethylphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115484011
N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
N-[(2-chloro-4,5-dimethylphenyl)-(3-chloro-4-iodophenyl)methyl]ethanamine
CID 103220538
N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine
CID 43489055
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989691
N-[(2-chloro-4,5-dimethylphenyl)-(2-chloro-4-fluorophenyl)methyl]ethanamine
CID 115484037
N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989854
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
CID 43489085
N-[(2-chloro-4,5-dimethylphenyl)-(5-chlorothiophen-2-yl)methyl]ethanamine
CID 115483998
N-[(2-chloro-4-fluoro-5-methylphenyl)-(2-chlorophenyl)methyl]ethanamine
CID 81045063
N-benzhydrylethanamine;ethane
CID 142974710
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine
CID 43489020

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine?
The IUPAC name of N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine (CID 115484059) is N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine?
The canonical SMILES for N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1cc(C)c(C)cc1Cl.
What is the InChIKey of N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine?
The InChIKey is SUMWSTCGVAQBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-4-19-17(14-8-6-5-7-9-14)15-10-12(2)13(3)11-16(15)18/h5-11,17,19H,4H2,1-3H3.
What are the key properties of N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine?
N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine has a molecular weight of 273.81 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine is sourced from PubChem (CID 115484059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).